* LIGAND DATABASE FILE (OPLS2005)
*
001     105   109    203    333     609
    1     0 S   NP   _N1_     1    28.50352    95.75449   -21.75845
    2     1 S   H    _HN1     2     1.02831    34.56505   145.75483
    3     1 S   H    _H1_     3     1.02785    93.47067   -97.24629
    4     1 S   H    _H2_     4     1.02951    82.77058    10.82231
    5     1 S   CT   _CA1     5     1.50108   144.10345   125.93738
    6     5 S   HC   _HA1     6     1.09573   105.22055    71.10949
    7     5 S   CO3  _C1_     7     1.53797   112.39052   -49.16042
    8     7 S   O2Z  _O11     8     1.26371   115.00739   -44.18502
    9     7 S   O2Z  _O12     9     1.26235   114.93754   134.94589
   10     5 S   CT   _CB1    10     1.53081   107.42717  -170.91689
   11    10 S   HC   HB11    11     1.09830   109.41608   -49.89194
   12    10 S   HC   HB12    12     1.09815   110.43311    66.71871
   13    10 S   CT   _CG1    13     1.52984   112.58389  -170.88165
   14    13 S   HC   HG11    14     1.09591   110.58253   -64.25884
   15    13 S   HC   HG12    15     1.09664   109.85314    54.97513
   16    13 S   C    _CD1    16     1.51792   112.25693   175.43838
   17    16 S   O    _OE1    17     1.22729   123.30252     4.16509
   18    16 S   N    _N2_    18     1.38633   111.63455  -176.01189
   19    18 S   H    _HN2    19     1.01591   118.98822     1.89579
   20    18 S   CT1  _CA2    20     1.46226   123.39667   178.69749
   21    20 S   HC   _HA2    21     1.09746   109.39586    -0.60166
   22    20 S   C    _C2_    22     1.53525   108.58549  -116.06657
   23    22 S   O    _O2_    23     1.23049   122.31658  -148.37943
   24    20 S   CT   _CB2    32     1.53669   111.55039   121.36415
   25    24 S   HC   HB21    33     1.09325   108.83031    55.95731
   26    24 S   HC   HB22    34     1.09144   109.25828   174.57061
   27    22 S   N    _N3_    24     1.38347   113.64107    39.14181
   28    27 S   H    _HN3    25     1.01602   119.55514    -3.54862
   29    24 S   S    _SG2    35     1.82993   110.60971   -64.35068
   30    27 S   CT   _CA3    26     1.45287   123.16556   177.01981
   31    30 S   HC   HA31    27     1.09551   107.53104   -63.83548
   32    30 S   HC   HA32    28     1.09557   107.94740    52.58189
   33    29 S   CT   _C15    36     1.96775   105.48075  -172.11848
   34    30 S   CO3  _C3_    29     1.52948   114.11789   174.56282
   35    34 S   O2Z  _O31    30     1.26372   116.07199    -0.63919
   36    34 S   O2Z  _O32    31     1.26432   114.41116   179.41283
   37    33 S   CT   _C16    37     1.54395   109.52828   -35.39708
   38    37 S   HC   _H4_    38     1.09277   110.35604  -172.39259
   39    33 S   CT   _C14    68     1.65843   108.73857    92.59198
   40    37 S   CO4  _C17    39     1.52480   114.30111   -55.36925
   41    40 S   O    _O35    40     1.22975   121.38714   148.48167
   42    39 S   CT   _C23    69     1.56401   111.61322   -13.15439
   43    42 S   HC   _H17    70     1.09186   111.48474   -55.67062
   44    42 S   HC   _H18    71     1.09055   113.87341  -171.50093
   45    42 S   HC   _H19    72     1.09358   112.73878    67.60321
   46    37 S   OH   _O38   104     1.41794   112.17928    71.37506
   47    46 S   HO   _H16   105     0.97407   107.47618   178.12393
   48    40 S   OS   _O36    41     1.35450   117.61045   -36.62827
   49    48 S   CT   _C18    42     1.46100   125.28085    22.35400
   50    49 S   HC   _H5_    43     1.09510   104.90915    90.20192
   51    49 S   C5BC _C19    44     1.51132   109.62537  -159.51507
   52    33 S   CT   _C5_    52     1.62202   104.25581  -146.68511
   53    51 S   C5BC _C20    45     1.42609   128.10784    29.95521
   54    53 S   HA   _H13    46     1.08089   127.43714     0.97418
   55    52 S   CT   _C6_    53     1.56848   110.05433   -68.64910
   56    55 S   HC   _H9_    54     1.09761   109.48341  -165.51280
   57    55 S   HC   _H10    55     1.09749   110.14044    80.00800
   58    52 S   CT   _C4_   100     1.57285   113.57736   168.00170
   59    58 S   HC   _H6_   101     1.09610   112.08678   -83.11620
   60    58 S   HC   _H7_   102     1.09599   111.24349   157.58004
   61    58 S   HC   _H8_   103     1.08434   115.41514    35.63487
   62    53 S   C5A  _C21    47     1.37439   106.69466  -179.09043
   63    62 S   HA   _H14    48     1.08023   133.82543  -179.77358
   64    55 S   CT   _C7_    56     1.54262   116.66821   -42.95674
   65    64 S   HC   _H11    57     1.09516   109.20469   112.31239
   66    64 S   HC   _H12    58     1.09659   108.68696  -132.66463
   67    62 S   OA   _O37    49     1.35627   110.47213     0.60974
   68    64 S   CT   _C8_    59     1.51827   111.49815   -10.80343
   69    68 S   HC   _H3_    60     1.08625   103.61404   -54.43685
   70    51 S   C5A  _C22    50     1.38245   126.96116  -147.72723
   71    70 S   HA   _H15    51     1.08078   133.42160    -0.91322
   72    68 S   CT   _C9_    61     1.57250   120.83861  -167.11201
   73    72 S   CT   _C10    62     1.58533   100.49932  -163.63841
   74    72 S   CM   _C27    85     1.53711   109.35508    76.48584
   75    74 S   HC   _H31    86     1.09164   114.76955     0.90092
   76    72 S   CT   _C26    96     1.54957   109.96074   -39.90925
   77    76 S   HC   _H28    97     1.08910   114.06560   -39.95777
   78    76 S   HC   _H29    98     1.09108   113.13271  -161.38147
   79    76 S   HC   _H30    99     1.09802   110.96941    78.54341
   80    73 S   CO4  _C11    63     1.51630   117.35244  -105.59254
   81    80 S   O    _O33    64     1.22623   124.64754   -83.26822
   82    73 S   OH   _O40    83     1.41481   112.21671   129.24726
   83    82 S   HO   _H27    84     0.97505   107.32994    66.08623
   84    74 S   CM   _C28    87     1.34383   131.68511  -176.73943
   85    84 S   HC   _H32    88     1.08870   117.31103   177.89179
   86    80 S   CT   _C12    65     1.50649   112.29379    99.30899
   87    84 S   CO4  _C29    89     1.48172   127.70526    -2.72333
   88    87 S   O    _O41    90     1.21877   126.39068   -11.97783
   89    86 S   OS   _O34    66     1.42948   102.64731    -3.09199
   90    86 S   CT   _C24    75     1.52320   111.43073   114.87940
   91    90 S   HC   _H21    76     1.09554   110.75324  -169.17845
   92    90 S   HC   _H22    77     1.09524   111.38566    69.72667
   93    90 S   HC   _H23    78     1.09509   111.72475   -50.33110
   94    86 S   CT   _C25    79     1.52079   111.67845  -119.36517
   95    94 S   HC   _H24    80     1.09568   110.80215   173.47036
   96    94 S   HC   _H25    81     1.09541   111.18983    55.21818
   97    94 S   HC   _H26    82     1.09495   111.63662   -65.23933
   98    87 S   OS   _O42    91     1.36134   107.23022   168.54166
   99    73 S   CO   _C13    67     1.57378   107.61961     3.95577
  100    98 S   CT   _C30    92     1.43082   115.14312   179.49487
  101   100 S   HC   _H33    93     1.09328   108.10822  -179.98022
  102   100 S   HC   _H34    94     1.09426   110.28942    61.31086
  103   100 S   HC   _H35    95     1.09427   110.28735   -61.29170
  104    99 S   OH   _O39    73     1.41956   111.15871   147.22218
  105   104 S   HO   _H20    74     0.97298   107.32772  -162.43797
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  31   2   1   1  14   7  26   8   3  12   4   3   2   3   1   8
  17   6  10  14   6   4  12   6   5   4   2   1   1   4   2   9
   4   3   2  15   5   1   1  18  18  13   4   7   2   1   1  15
   6   5   1   5   3  11   6   2  11   8   3   2   1   4   2   1
   1   4   2   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    49    52    55    68    99    39    42    58    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    48    49    50    51    52    55    56    57    64    68    69    72    73    89    99    39    42    43    44    45   104    58    59    60    61    46    47  
   35    36  
   36  
    0  
   38    40    41    48    49    52    55    68    99    39    42    58    46    47  
   40    41    48    52    39    46    47  
   42    43    44    45   104   105    82    74    76    58    46    40    49    52    55    64    65    66    68    69    72    73    80    86    89    99  
   41    48    49    50    51    52    46    47  
   48    49    46  
   43    44    45   104    52    64    68    69    72    73    89    99  
   44    45    68    99  
   45    68    99  
   68    99  
   47    48    52  
    0  
   49    50    51    53    70    52    55    58  
   50    51    53    54    62    67    70    71    52    55    56    57    64    58    59    60    61  
   51    53    70    52    55    58  
   53    54    62    63    67    70    71    52    55    58  
   55    56    57    64    65    66    68    99    58    59    60    61    53    70  
   54    62    63    67    70    71  
   62    63    67    70  
   56    57    64    65    66    68    69    72    58    59    60    61  
   57    64    65    66    68    58  
   64    65    66    68    58  
   59    60    61    64  
   60    61  
   61  
    0  
   63    67    70    71  
   67    70  
   65    66    68    69    72    73    99    74    76  
   66    68    69    72  
   68    69    72  
   70    71  
   69    72    73    80    89    99   104    82    74    75    84    76    77    78    79  
   72    73    99    74    76  
   71  
    0  
   73    80    81    86    89    99   104    82    83    74    75    84    85    87    76    77    78    79  
   80    81    86    89    99   104   105    90    94    82    83    74    75    84    76    77    78    79  
   75    84    85    87    88    98    76    77    78    79    80    82    99  
   84    85    87    76  
   77    78    79    80    82    84    99  
   78    79  
   79  
    0  
   81    86    89    99   104    90    91    92    93    94    95    96    97    82    83  
   86    89    99    90    94    82  
   83    86    89    99   104  
   99  
   85    87    88    98   100  
   87    88    98  
   89    99   104    90    91    92    93    94    95    96    97  
   88    98   100   101   102   103  
   98   100  
   99   104   105    90    91    92    93    94    95    96    97  
   91    92    93    94    95    96    97    99  
   92    93    94  
   93    94  
   94  
   95    96    97    99  
   96    97  
   97  
    0  
  100   101   102   103  
  104   105  
  101   102   103  
  102   103  
  103  
    0  
  105  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   99   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
  100   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  104   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
  105   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    40   317.000  1.522
   37    46   320.000  1.410
   40    41   570.000  1.229
   40    48   214.000  1.327
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   285.000  1.502
   49    52   268.000  1.529
   51    53   469.000  1.424
   51    70   546.000  1.367
   53    54   367.000  1.080
   53    62   546.000  1.367
   62    63   367.000  1.080
   62    67   340.000  1.360
   67    70   340.000  1.360
   70    71   367.000  1.080
   52    55   268.000  1.529
   52    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    39   268.000  1.529
   72    73   268.000  1.529
   72    74   317.000  1.510
   72    76   268.000  1.529
   73    80   317.000  1.522
   73    99   250.000  1.527
   73    82   320.000  1.410
   80    81   570.000  1.229
   80    86   317.000  1.522
   86    89   320.000  1.410
   86    90   268.000  1.529
   86    94   268.000  1.529
   89    99   320.000  1.380
   99    39   250.000  1.527
   99   104   380.000  1.407
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
  104   105   553.000  0.945
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   82    83   553.000  0.945
   74    75   340.000  1.080
   74    84   549.000  1.340
   84    85   340.000  1.080
   84    87   320.000  1.462
   87    88   570.000  1.229
   87    98   214.000  1.327
   98   100   320.000  1.410
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    40    63.00000  111.10000
   33    37    46    50.00000  109.50000
   33    52    49    58.35000  112.70000
   33    52    55    58.35000  112.70000
   33    52    58    58.35000  112.70000
   33    39    68    58.35000  112.70000
   33    39    99    75.00000  109.43000
   33    39    42    58.35000  112.70000
   37    40    41    80.00000  120.40000
   37    40    48    81.00000  111.40000
   37    46    47    55.00000  108.50000
   40    37    38    35.00000  109.50000
   40    48    49    83.00000  116.90000
   48    40    41    83.00000  123.40000
   48    49    50    35.00000  109.50000
   48    49    51    85.00000  111.85700
   48    49    52    50.00000  109.50000
   49    51    53    60.00000  130.00000
   49    51    70    60.00000  130.00000
   49    52    55    58.35000  112.70000
   49    52    58    58.35000  112.70000
   51    49    50    35.00000  109.50000
   51    53    54    35.00000  127.50000
   51    53    62    70.00000  107.30000
   51    70    67    70.00000  110.60000
   51    70    71    35.00000  132.10000
   53    62    63    35.00000  132.10000
   53    62    67    70.00000  110.60000
   62    53    54    35.00000  125.70000
   62    67    70    70.00000  106.50000
   67    62    63    35.00000  113.40000
   67    70    71    35.00000  113.40000
   70    51    53    70.00000  107.30000
   52    33    37    58.35000  112.70000
   52    49    50    37.50000  110.70000
   52    49    51    70.00000  112.17500
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    64    58.35000  112.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   55    64    65    37.50000  110.70000
   55    64    66    37.50000  110.70000
   55    64    68    58.35000  112.70000
   57    55    56    33.00000  107.80000
   64    55    56    37.50000  110.70000
   64    55    57    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    72    58.35000  112.70000
   64    68    39    58.35000  112.70000
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    72    73    58.35000  112.70000
   68    72    74    70.00000  112.02700
   68    72    76    58.35000  112.70000
   68    39    99    75.00000  109.43000
   68    39    42    58.35000  112.70000
   72    68    69    37.50000  110.70000
   72    73    80    63.00000  111.10000
   72    73    99    75.00000  109.43000
   72    73    82    50.00000  109.50000
   72    74    75    35.00000  117.00000
   72    74    84    70.00000  124.00000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    79    37.50000  110.70000
   73    80    81    80.00000  120.40000
   73    80    86    70.00000  116.00000
   73    99    89    90.00000  108.56700
   73    99    39    65.00000  112.71400
   73    99   104    90.00000  110.19100
   73    82    83    55.00000  108.50000
   80    86    89    90.00000  108.74100
   80    86    90    63.00000  111.10000
   80    86    94    63.00000  111.10000
   86    80    81    80.00000  120.40000
   86    89    99    60.00000  109.50000
   86    90    91    37.50000  110.70000
   86    90    92    37.50000  110.70000
   86    90    93    37.50000  110.70000
   86    94    95    37.50000  110.70000
   86    94    96    37.50000  110.70000
   86    94    97    37.50000  110.70000
   89    99    39    90.00000  108.56700
   89    99   104   110.00000  112.08000
   99    73    80    63.00000  111.10000
   99    39    42    75.00000  109.43000
   99   104   105    70.00000  107.92000
   39    33    37    58.35000  112.70000
   39    33    52    58.35000  112.70000
   39    68    69    37.50000  110.70000
   39    68    72    58.35000  112.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
  104    99    39    90.00000  110.19100
   90    86    89    50.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   94    86    89    50.00000  109.50000
   94    86    90    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   82    73    80    90.00000  109.61100
   82    73    99    90.00000  111.58700
   74    72    73    70.00000  112.02700
   74    84    85    35.00000  120.00000
   74    84    87    65.00000  118.96000
   84    74    75    35.00000  120.00000
   84    87    88    80.00000  123.72100
   84    87    98    90.00000  111.29400
   87    84    85    40.00000  117.72500
   87    98   100    83.00000  116.90000
   98    87    88    83.00000  123.40000
   98   100   101    35.00000  109.50000
   98   100   102    35.00000  109.50000
   98   100   103    35.00000  109.50000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   76    72    73    58.35000  112.70000
   76    72    74    70.00000  112.02700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   58    52    55    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   46    37    38    35.00000  109.50000
   46    37    40    90.00000  109.61100
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
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   39    33    52    49  -0.07550 -1.0 2.0
   39    33    52    49   0.20000  1.0 3.0
   39    33   -52    55   0.56750  1.0 1.0
   39    33   -52    55  -0.07550 -1.0 2.0
   39    33   -52    55   0.20000  1.0 3.0
   39    33    52    58   0.56750  1.0 1.0
   39    33    52    58  -0.07550 -1.0 2.0
   39    33    52    58   0.20000  1.0 3.0
   39    68   -72    73   0.56750  1.0 1.0
   39    68   -72    73  -0.07550 -1.0 2.0
   39    68   -72    73   0.20000  1.0 3.0
   39    68    72    74   0.34400  1.0 1.0
   39    68    72    74   0.09450 -1.0 2.0
   39    68    72    74   0.11100  1.0 3.0
   39    68    72    76   0.56750  1.0 1.0
   39    68    72    76  -0.07550 -1.0 2.0
   39    68    72    76   0.20000  1.0 3.0
   39    99   104   105  -0.11600  1.0 1.0
   39    99   104   105  -0.09450 -1.0 2.0
   39    99   104   105   0.21250  1.0 3.0
  104    99    39    33   0.86500  1.0 1.0
  104    99    39    33  -0.17500 -1.0 2.0
  104    99    39    33   0.20800  1.0 3.0
  104    99    39    68   0.86500  1.0 1.0
  104    99    39    68  -0.17500 -1.0 2.0
  104    99    39    68   0.20800  1.0 3.0
  104    99    39    42   0.86500  1.0 1.0
  104    99    39    42  -0.17500 -1.0 2.0
  104    99    39    42   0.20800  1.0 3.0
   90    86    89    99   0.06250  1.0 1.0
   90    86    89    99  -0.01100 -1.0 2.0
   90    86    89    99   0.28050  1.0 3.0
   90    86    94    95   0.15000  1.0 3.0
   90    86    94    96   0.15000  1.0 3.0
   90    86    94    97   0.15000  1.0 3.0
   94    86    89    99   0.06250  1.0 1.0
   94    86    89    99  -0.01100 -1.0 2.0
   94    86    89    99   0.28050  1.0 3.0
   94    86    90    91   0.15000  1.0 3.0
   94    86    90    92   0.15000  1.0 3.0
   94    86    90    93   0.15000  1.0 3.0
   82    73    80    81   0.30150 -1.0 2.0
   82    73    80    86   0.55300  1.0 1.0
   82    73    80    86   1.25850 -1.0 2.0
   82    73    80    86  -0.23600  1.0 3.0
   82    73    99    89   3.69350  1.0 1.0
   82    73    99    89  -1.82950 -1.0 2.0
   82    73    99    39   0.86500  1.0 1.0
   82    73    99    39  -0.17500 -1.0 2.0
   82    73    99    39   0.20800  1.0 3.0
   82    73    99   104   3.75450  1.0 1.0
   74    72    73    80  -0.98800  1.0 1.0
   74    72    73    80   0.48800 -1.0 2.0
   74    72    73    80   0.76800  1.0 3.0
   74    72    73    99   0.34400  1.0 1.0
   74    72    73    99   0.09450 -1.0 2.0
   74    72    73    99   0.11100  1.0 3.0
   74    72    73    82   1.05650  1.0 1.0
   74    72    73    82   0.15600 -1.0 2.0
   74    72    73    82   0.53150  1.0 3.0
   74    72    76    77   0.15000  1.0 3.0
   74    72    76    78   0.15000  1.0 3.0
   74    72    76    79   0.15000  1.0 3.0
   74    84    87    88   1.00000 -1.0 2.0
   74    84    87    98  -0.56150  1.0 1.0
   74    84    87    98   2.19150 -1.0 2.0
   75    74    84    85   7.00000 -1.0 2.0
   75    74    84    87   7.00000 -1.0 2.0
   84    87    98   100   2.00000 -1.0 2.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    98   1.63100 -1.0 2.0
   87    98   100   101   0.08050  1.0 3.0
   87    98   100   102   0.08050  1.0 3.0
   87    98   100   103   0.08050  1.0 3.0
   88    87    98   100   3.00000 -1.0 2.0
   76    72    73    80  -0.95700  1.0 1.0
   76    72    73    80  -0.18200 -1.0 2.0
   76    72    73    80   0.29450  1.0 3.0
   76    72    73    99   3.97050  1.0 1.0
   76    72    73    82   0.86500  1.0 1.0
   76    72    73    82  -0.17500 -1.0 2.0
   76    72    73    82   0.20800  1.0 3.0
   76    72    74    75   0.00000  1.0 1.0
   76    72    74    84   0.09850  1.0 1.0
   76    72    74    84   0.15250 -1.0 2.0
   76    72    74    84  -0.50650  1.0 3.0
   58    52    55    56   0.15000  1.0 3.0
   58    52    55    57   0.15000  1.0 3.0
   58    52    55    64   0.56750  1.0 1.0
   58    52    55    64  -0.07550 -1.0 2.0
   58    52    55    64   0.20000  1.0 3.0
   46    37    40    41   0.30150 -1.0 2.0
   46    37    40    48   0.30750  1.0 1.0
   46    37    40    48   1.13850 -1.0 2.0
   46    37    40    48   0.38850  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    48    40    41  10.50000 -1.0 2.0
   53    70    51    49   4.00000 -1.0 2.0
   62    54    53    51   1.10000 -1.0 2.0
   67    63    62    53   1.10000 -1.0 2.0
   67    71    70    51   1.10000 -1.0 2.0
   73    86    80    81  10.50000 -1.0 2.0
   72    75    74    84  15.00000 -1.0 2.0
   87    85    84    74  15.00000 -1.0 2.0
   84    98    87    88  10.50000 -1.0 2.0
END
